Mol:FLIA1LNI0004

From Metabolomics.JP
Jump to: navigation, search

FLIA1LNI0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.3617    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3617   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8054   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2491   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2491    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8054    0.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6928   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1365   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1365    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6928    0.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4196   -0.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4196   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6092   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6092   -0.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6928   -1.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9178    0.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2039   -1.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1746   -1.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144    0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6074    0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6074    1.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1992    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0156    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2034   -0.3410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9178   -0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 19 14  1  0  0  0  0 
 12 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 15 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1 OCH3 
M  SBV   1 28   -4.4859    4.3555 
S  SKP  8 
ID	FLIA1LNI0004 
KNApSAcK_ID	C00009872 
NAME	Kwakhurin;7,4',6'-Trihydroxy-3'-methoxy-2'-prenylisoflavone 
CAS_RN	111922-23-7 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	COc(c1CC=C(C)C)c(O)cc(c1C(C2=O)=COc(c3)c(ccc(O)3)2)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox